![methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate structure](/static/products/2591/259175-30-9.webp)
methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
TL;DR: methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS 259175-30-9) is a chemical compound with molecular formula C20H8Cl4F6N2O3 and molecular weight 577.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methylidene]-5-oxopyrazole-3-carboxylate
Also Known As: methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate, methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methylidene]-5-oxopyrazole-3-carboxylate, methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methyle
| Molecular Formula | C20H8Cl4F6N2O3 |
|---|---|
| Molecular Weight | 577.92 g/mol |
| LogP | 7.297 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 577.9193 |
| Heavy Atoms | 35 |
| Complexity | 1258.7311 |
Chemical Identifiers
| CAS Number | 259175-30-9 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=O)C1=CC2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C3=C(C=C(C=C3Cl)C(F)(F)F)Cl |
Product Overview
methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS 259175-30-9), with molecular formula C20H8Cl4F6N2O3 and molecular weight 577.92 g/mol. IUPAC: methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methylidene]-5-oxopyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
Property Insights of methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
The XLogP value of 7.297 indicates that methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate?
The CAS number of methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate is 259175-30-9.
What is the molecular formula of methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate is C20H8Cl4F6N2O3.
What is the molecular weight of methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate is 577.92 g/mol.
Where can I buy methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.